N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide

C24H25NO4 — CID 4960126

IUPACN-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO4/c1-2-15-27-23-10-6-7-19(18-23)24(26)25-20-11-13-22(14-12-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26)
InChIKeyKXEZYUHFOHGOJH-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.19
Rot. Bonds10

About N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide

N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide (PubChem CID 4960126) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
PubChem CID4960126
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO4/c1-2-15-27-23-10-6-7-19(18-23)24(26)25-20-11-13-22(14-12-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26)
InChIKeyKXEZYUHFOHGOJH-UHFFFAOYSA-N
XLogP5.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide (CID 4960126) is N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide?
The InChIKey is KXEZYUHFOHGOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-15-27-23-10-6-7-19(18-23)24(26)25-20-11-13-22(14-12-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26).
What are the key properties of N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide?
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 4960126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).